N-[(3R)-1-cyclopropylpiperidin-3-yl]-2-[4-(3-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide

C23H29FN4O2 — CID 162432299

IUPACN-[(3R)-1-cyclopropylpiperidin-3-yl]-2-[4-(3-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
SMILESCC(C)c1nn(CC(=O)N[C@@H]2CCCN(C3CC3)C2)c(=O)cc1-c1cccc(F)c1
InChIInChI=1S/C23H29FN4O2/c1-15(2)23-20(16-5-3-6-17(24)11-16)12-22(30)28(26-23)14-21(29)25-18-7-4-10-27(13-18)19-8-9-19/h3,5-6,11-12,15,18-19H,4,7-10,13-14H2,1-2H3,(H,25,29)/t18-/m1/s1
InChIKeyUQSSLPTXGNBGCY-GOSISDBHSA-N
MW412.51 g/mol
LogP2.92
Rot. Bonds6

About N-[(3R)-1-cyclopropylpiperidin-3-yl]-2-[4-(3-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide

N-[(3R)-1-cyclopropylpiperidin-3-yl]-2-[4-(3-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide (PubChem CID 162432299) has the molecular formula C23H29FN4O2 and a molecular weight of 412.51 g/mol. Its IUPAC name is N-[(3R)-1-cyclopropylpiperidin-3-yl]-2-[4-(3-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-cyclopropylpiperidin-3-yl]-2-[4-(3-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
PubChem CID162432299
Molecular FormulaC23H29FN4O2
Molecular Weight412.51 g/mol
Exact Mass412.23
IUPAC NameN-[(3R)-1-cyclopropylpiperidin-3-yl]-2-[4-(3-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
SMILESCC(C)c1nn(CC(=O)N[C@@H]2CCCN(C3CC3)C2)c(=O)cc1-c1cccc(F)c1
InChIInChI=1S/C23H29FN4O2/c1-15(2)23-20(16-5-3-6-17(24)11-16)12-22(30)28(26-23)14-21(29)25-18-7-4-10-27(13-18)19-8-9-19/h3,5-6,11-12,15,18-19H,4,7-10,13-14H2,1-2H3,(H,25,29)/t18-/m1/s1
InChIKeyUQSSLPTXGNBGCY-GOSISDBHSA-N
XLogP2.92
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cyclopropylpiperidin-3-yl]-2-[4-(3-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide?
The IUPAC name of N-[(3R)-1-cyclopropylpiperidin-3-yl]-2-[4-(3-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide (CID 162432299) is N-[(3R)-1-cyclopropylpiperidin-3-yl]-2-[4-(3-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide.
What is the SMILES notation for N-[(3R)-1-cyclopropylpiperidin-3-yl]-2-[4-(3-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide?
The canonical SMILES for N-[(3R)-1-cyclopropylpiperidin-3-yl]-2-[4-(3-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide is CC(C)c1nn(CC(=O)N[C@@H]2CCCN(C3CC3)C2)c(=O)cc1-c1cccc(F)c1.
What is the InChIKey of N-[(3R)-1-cyclopropylpiperidin-3-yl]-2-[4-(3-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide?
The InChIKey is UQSSLPTXGNBGCY-GOSISDBHSA-N. The full InChI is InChI=1S/C23H29FN4O2/c1-15(2)23-20(16-5-3-6-17(24)11-16)12-22(30)28(26-23)14-21(29)25-18-7-4-10-27(13-18)19-8-9-19/h3,5-6,11-12,15,18-19H,4,7-10,13-14H2,1-2H3,(H,25,29)/t18-/m1/s1.
What are the key properties of N-[(3R)-1-cyclopropylpiperidin-3-yl]-2-[4-(3-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide?
N-[(3R)-1-cyclopropylpiperidin-3-yl]-2-[4-(3-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide has a molecular weight of 412.51 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cyclopropylpiperidin-3-yl]-2-[4-(3-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide is sourced from PubChem (CID 162432299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).